N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide

C20H25N5O3S — CID 155496247

IUPACN-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4nsnc4C)[C@H]4CC[C@]3(C2)O4)ccn1
InChIInChI=1S/C20H25N5O3S/c1-12-18(24-29-23-12)19(26)22-8-14-15-10-25(11-20(15)5-3-16(14)28-20)9-13-4-6-21-17(7-13)27-2/h4,6-7,14-16H,3,5,8-11H2,1-2H3,(H,22,26)/t14-,15+,16+,20+/m0/s1
InChIKeyCISHXXOKINZMOP-QCBUCWTNSA-N
MW415.52 g/mol
LogP1.66
Rot. Bonds6

About N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide

N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 155496247) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID155496247
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC NameN-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4nsnc4C)[C@H]4CC[C@]3(C2)O4)ccn1
InChIInChI=1S/C20H25N5O3S/c1-12-18(24-29-23-12)19(26)22-8-14-15-10-25(11-20(15)5-3-16(14)28-20)9-13-4-6-21-17(7-13)27-2/h4,6-7,14-16H,3,5,8-11H2,1-2H3,(H,22,26)/t14-,15+,16+,20+/m0/s1
InChIKeyCISHXXOKINZMOP-QCBUCWTNSA-N
XLogP1.66
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide with MolForge

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Related Compounds

N-[[(1S,5S,6R,7R)-3-(furan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 154817277
N-[[(1S,5S,6R,7R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 155498254
4-methyl-N-[[(1S,5S,6R,7R)-3-pyrimidin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 155491937
3,4-dimethoxy-N-[[3-(pyridin-4-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 171359485
4-methyl-N-[[(1S,5S,6R,7R)-3-(2-thiophen-3-ylacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 155508806
2-[(1S,5S,6R,7R)-6-[[(2-methoxy-5-methylbenzoyl)amino]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]acetic acid
CID 155504049
3-methyl-N-[[(1S,5S,6R,7R)-3-[(3-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
CID 154819600
N-[[(1S,5S,6R,7R)-3-[(4-methoxy-2-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-phenylacetamide
CID 154823464
N-[[(1S,5S,6R,7R)-3-[(4-methylphenyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
CID 154817901
N-[[(1S,5S,6R,7R)-3-ethyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-methoxy-4-methylbenzamide
CID 155508708
formic acid;6-methoxy-N-[[(1S,5S,6R,7R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
CID 171330793
5-methyl-N-[[(1S,5S,6R,7R)-3-[(5-methylfuran-2-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-imidazole-4-carboxamide
CID 155495134

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide (CID 155496247) is N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide is COc1cc(CN2C[C@@H]3[C@H](CNC(=O)c4nsnc4C)[C@H]4CC[C@]3(C2)O4)ccn1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is CISHXXOKINZMOP-QCBUCWTNSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-12-18(24-29-23-12)19(26)22-8-14-15-10-25(11-20(15)5-3-16(14)28-20)9-13-4-6-21-17(7-13)27-2/h4,6-7,14-16H,3,5,8-11H2,1-2H3,(H,22,26)/t14-,15+,16+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[(2-methoxy-4-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 155496247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).